3-methyl-1-(5-oxidanylidenehexyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylidenehexyl)-7H-purine-2,6-dione Openeye Name: 3-methyl-1-(5-oxohexyl)-7H-purine-2,6-dione CAS Name: 3-methyl-1-(5-oxohexyl)-7H-purine-2,6-dione IUPAC Name: 3-methyl-1-(5-oxohexyl)-7H-purine-2,6-dione Traditional Name: 1-(5-ketohexyl)-3-methyl-7H-purine-2,6-quinone Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C

InChI

InChI=1S/C12H16N4O3/c1-8(17)5-3-4-6-16-11(18)9-10(14-7-13-9)15(2)12(16)19/h7H,3-6H2,1-2H3,(H,13,14)